From: Matteo F. <fl...@cr...> - 2008-03-20 09:13:45
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Dear all, I have this exception when I try to create some SMILES: Exception in thread "main" java.lang.NumberFormatException: For input string: "34000-1" at java .lang.NumberFormatException.forInputString(NumberFormatException.java: 48) at java.lang.Long.parseLong(Long.java:412) at java.lang.Long.parseLong(Long.java:461) at org .openscience .cdk .graph .invariant.CanonicalLabeler.createInvarLabel(CanonicalLabeler.java:140) at org .openscience .cdk.graph.invariant.CanonicalLabeler.canonLabel(CanonicalLabeler.java: 81) at org .openscience .cdk .smiles .SmilesGenerator .createSMILESWithoutCheckForMultipleMolecules(SmilesGenerator.java:333) at org .openscience .cdk.smiles.SmilesGenerator.createSMILES(SmilesGenerator.java:304) at org .openscience .cdk.smiles.SmilesGenerator.createSMILES(SmilesGenerator.java:190) at Prova.main(Prova.java:436) but I don't understand the possible origin of this problem... Thanks for your help. Regards, Matteo. |